COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013881
Chemical Name: (2E)-3-(3-bromo-4-butoxy-5-methoxyphenyl)-2-cyano-N-cyclopentylprop-2-enamide
Smiles: CCCCOc1c(Br)cc(cc1OC)/C=C(/C(=O)NC1CCCC1)\C#N

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Molecular Weight: 421.33
Empirical Formula: C20H25BrN2O3

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 4.771
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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